7-(3-aminoisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

C226H256F3N47O16 — CID 158691047

IUPAC7-(3-aminoisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
SMILESC=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cc(C)cc4ccccc24)C3)CC1.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cc(O)cc4ccccc24)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccccc24)C3)CC1.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2ccccc2OC(F)(F)F)C3)CC1.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2nc(C)cc4ccccc24)C3)CC1.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2nc(N)cc4ccccc24)C3)CC1
InChIInChI=1S/C35H39N7O2.C34H37N7O3.C33H38N6O2.C32H37N7O2.C32H36N6O2.C31H36N8O2.C29H33F3N6O3/c1-4-32(43)42-19-18-41(21-26(42)13-15-36)34-28-14-17-40(31-12-6-10-25-9-5-8-24(2)33(25)31)22-30(28)38-35(29(34)20-37)44-23-27-11-7-16-39(27)3;1-3-32(43)41-16-15-40(20-24(41)10-12-35)33-28-11-14-39(31-18-26(42)17-23-7-4-5-9-27(23)31)21-30(28)37-34(29(33)19-36)44-22-25-8-6-13-38(25)2;1-4-31(40)37-14-16-38(17-15-37)32-27-11-13-39(30-19-23(2)18-24-8-5-6-10-26(24)30)21-29(27)35-33(28(32)20-34)41-22-25-9-7-12-36(25)3;1-4-29(40)37-14-16-38(17-15-37)30-26-11-13-39(31-25-10-6-5-8-23(25)18-22(2)34-31)20-28(26)35-32(27(30)19-33)41-21-24-9-7-12-36(24)3;1-3-30(39)36-16-18-37(19-17-36)31-26-13-15-38(29-12-6-9-23-8-4-5-11-25(23)29)21-28(26)34-32(27(31)20-33)40-22-24-10-7-14-35(24)2;1-3-28(40)37-13-15-38(16-14-37)29-24-10-12-39(30-23-9-5-4-7-21(23)17-27(33)35-30)19-26(24)34-31(25(29)18-32)41-20-22-8-6-11-36(22)2;1-3-26(39)36-13-15-37(16-14-36)27-21-10-12-38(24-8-4-5-9-25(24)41-29(30,31)32)18-23(21)34-28(22(27)17-33)40-19-20-7-6-11-35(20)2/h4-6,8-10,12,26-27H,1,7,11,13-14,16-19,21-23H2,2-3H3;3-5,7,9,17-18,24-25,42H,1,6,8,10-11,13-16,20-22H2,2H3;4-6,8,10,18-19,25H,1,7,9,11-17,21-22H2,2-3H3;4-6,8,10,18,24H,1,7,9,11-17,20-21H2,2-3H3;3-6,8-9,11-12,24H,1,7,10,13-19,21-22H2,2H3;3-5,7,9,17,22H,1,6,8,10-16,19-20H2,2H3,(H2,33,35);3-5,8-9,20H,1,6-7,10-16,18-19H2,2H3/t26-,27-;24-,25-;25-;2*24-;22-;20-/m0000000/s1
InChIKeyIGITUGDEUFZREM-CDZWPWAASA-N
MW3943.84 g/mol
LogP27.15
Rot. Bonds45

About 7-(3-aminoisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

7-(3-aminoisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (PubChem CID 158691047) has the molecular formula C226H256F3N47O16 and a molecular weight of 3943.84 g/mol. Its IUPAC name is 7-(3-aminoisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name7-(3-aminoisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
PubChem CID158691047
Molecular FormulaC226H256F3N47O16
Molecular Weight3943.84 g/mol
Exact Mass3941.06
IUPAC Name7-(3-aminoisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
SMILESC=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cc(C)cc4ccccc24)C3)CC1.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cc(O)cc4ccccc24)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccccc24)C3)CC1.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2ccccc2OC(F)(F)F)C3)CC1.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2nc(C)cc4ccccc24)C3)CC1.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2nc(N)cc4ccccc24)C3)CC1
InChIInChI=1S/C35H39N7O2.C34H37N7O3.C33H38N6O2.C32H37N7O2.C32H36N6O2.C31H36N8O2.C29H33F3N6O3/c1-4-32(43)42-19-18-41(21-26(42)13-15-36)34-28-14-17-40(31-12-6-10-25-9-5-8-24(2)33(25)31)22-30(28)38-35(29(34)20-37)44-23-27-11-7-16-39(27)3;1-3-32(43)41-16-15-40(20-24(41)10-12-35)33-28-11-14-39(31-18-26(42)17-23-7-4-5-9-27(23)31)21-30(28)37-34(29(33)19-36)44-22-25-8-6-13-38(25)2;1-4-31(40)37-14-16-38(17-15-37)32-27-11-13-39(30-19-23(2)18-24-8-5-6-10-26(24)30)21-29(27)35-33(28(32)20-34)41-22-25-9-7-12-36(25)3;1-4-29(40)37-14-16-38(17-15-37)30-26-11-13-39(31-25-10-6-5-8-23(25)18-22(2)34-31)20-28(26)35-32(27(30)19-33)41-21-24-9-7-12-36(24)3;1-3-30(39)36-16-18-37(19-17-36)31-26-13-15-38(29-12-6-9-23-8-4-5-11-25(23)29)21-28(26)34-32(27(31)20-33)40-22-24-10-7-14-35(24)2;1-3-28(40)37-13-15-38(16-14-37)29-24-10-12-39(30-23-9-5-4-7-21(23)17-27(33)35-30)19-26(24)34-31(25(29)18-32)41-20-22-8-6-11-36(22)2;1-3-26(39)36-13-15-37(16-14-36)27-21-10-12-38(24-8-4-5-9-25(24)41-29(30,31)32)18-23(21)34-28(22(27)17-33)40-19-20-7-6-11-35(20)2/h4-6,8-10,12,26-27H,1,7,11,13-14,16-19,21-23H2,2-3H3;3-5,7,9,17-18,24-25,42H,1,6,8,10-11,13-16,20-22H2,2H3;4-6,8,10,18-19,25H,1,7,9,11-17,21-22H2,2-3H3;4-6,8,10,18,24H,1,7,9,11-17,20-21H2,2-3H3;3-6,8-9,11-12,24H,1,7,10,13-19,21-22H2,2H3;3-5,7,9,17,22H,1,6,8,10-16,19-20H2,2H3,(H2,33,35);3-5,8-9,20H,1,6-7,10-16,18-19H2,2H3/t26-,27-;24-,25-;25-;2*24-;22-;20-/m0000000/s1
InChIKeyIGITUGDEUFZREM-CDZWPWAASA-N
XLogP27.15
TPSA660.42 Ų
H-Bond Donors2
H-Bond Acceptors56
Rotatable Bonds45
Heavy Atoms292
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003943.84
LogP ≤ 527.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1056

Analyze 7-(3-aminoisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile with MolForge

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What is the IUPAC name of 7-(3-aminoisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 7-(3-aminoisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (CID 158691047) is 7-(3-aminoisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 7-(3-aminoisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 7-(3-aminoisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cc(C)cc4ccccc24)C3)CC1.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cc(O)cc4ccccc24)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccccc24)C3)CC1.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2ccccc2OC(F)(F)F)C3)CC1.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2nc(C)cc4ccccc24)C3)CC1.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2nc(N)cc4ccccc24)C3)CC1.
What is the InChIKey of 7-(3-aminoisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is IGITUGDEUFZREM-CDZWPWAASA-N. The full InChI is InChI=1S/C35H39N7O2.C34H37N7O3.C33H38N6O2.C32H37N7O2.C32H36N6O2.C31H36N8O2.C29H33F3N6O3/c1-4-32(43)42-19-18-41(21-26(42)13-15-36)34-28-14-17-40(31-12-6-10-25-9-5-8-24(2)33(25)31)22-30(28)38-35(29(34)20-37)44-23-27-11-7-16-39(27)3;1-3-32(43)41-16-15-40(20-24(41)10-12-35)33-28-11-14-39(31-18-26(42)17-23-7-4-5-9-27(23)31)21-30(28)37-34(29(33)19-36)44-22-25-8-6-13-38(25)2;1-4-31(40)37-14-16-38(17-15-37)32-27-11-13-39(30-19-23(2)18-24-8-5-6-10-26(24)30)21-29(27)35-33(28(32)20-34)41-22-25-9-7-12-36(25)3;1-4-29(40)37-14-16-38(17-15-37)30-26-11-13-39(31-25-10-6-5-8-23(25)18-22(2)34-31)20-28(26)35-32(27(30)19-33)41-21-24-9-7-12-36(24)3;1-3-30(39)36-16-18-37(19-17-36)31-26-13-15-38(29-12-6-9-23-8-4-5-11-25(23)29)21-28(26)34-32(27(31)20-33)40-22-24-10-7-14-35(24)2;1-3-28(40)37-13-15-38(16-14-37)29-24-10-12-39(30-23-9-5-4-7-21(23)17-27(33)35-30)19-26(24)34-31(25(29)18-32)41-20-22-8-6-11-36(22)2;1-3-26(39)36-13-15-37(16-14-36)27-21-10-12-38(24-8-4-5-9-25(24)41-29(30,31)32)18-23(21)34-28(22(27)17-33)40-19-20-7-6-11-35(20)2/h4-6,8-10,12,26-27H,1,7,11,13-14,16-19,21-23H2,2-3H3;3-5,7,9,17-18,24-25,42H,1,6,8,10-11,13-16,20-22H2,2H3;4-6,8,10,18-19,25H,1,7,9,11-17,21-22H2,2-3H3;4-6,8,10,18,24H,1,7,9,11-17,20-21H2,2-3H3;3-6,8-9,11-12,24H,1,7,10,13-19,21-22H2,2H3;3-5,7,9,17,22H,1,6,8,10-16,19-20H2,2H3,(H2,33,35);3-5,8-9,20H,1,6-7,10-16,18-19H2,2H3/t26-,27-;24-,25-;25-;2*24-;22-;20-/m0000000/s1.
What are the key properties of 7-(3-aminoisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
7-(3-aminoisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 3943.84 g/mol, XLogP of 27.15, 45 rotatable bonds, 2 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminoisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylisoquinolin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 158691047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).